SCHEMBL4522780

SCHEMBL4522780

CNC(=O)CNCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
PHF8 Q9UPP1 5/20 0.41
KDM2A Q9Y2K7 5/20 0.41
EGLN1 Q9GZT9 3/20 0.41
KDM4E B2RXH2 3/20 0.41
KDM5C P41229 3/20 0.41
CA1 P00915 7/20 0.38
CA2 P00918 7/20 0.38
MCL1 Q07820 1/20 0.37
CTH P32929 1/20 0.36
KDM6B O15054 1/20 0.35
FOLH1 Q04609 1/20 0.35
KDM7A Q6ZMT4 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PTGS2 P35354 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FFAR3 O14843 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3192012 0.89 MCL1 (0.43) LMNAPHF8KDM2AEGLN1KDM4E
SCHEMBL14103450 0.83
SCHEMBL13525115 0.83 CA1 (0.42) LMNAPHF8KDM2AEGLN1KDM4E
SCHEMBL4816014 0.80 LMNA (0.50) LMNAPHF8KDM2AEGLN1KDM4E
SCHEMBL27023 0.80
Acetic Acid SCHEMBL30401693 0.77 CTH (0.48) LMNAPHF8KDM2AEGLN1KDM4E
Acetic Acid SCHEMBL31437203 0.77 CTH (0.48) LMNAPHF8KDM2AEGLN1KDM4E
SCHEMBL4015593 0.76 LMNA (0.47) LMNAPHF8KDM2AEGLN1KDM4E
Water SCHEMBL11785760 0.76 LMNA (0.47) LMNAPHF8KDM2AEGLN1KDM4E
SCHEMBL3464176 0.76 LMNA (0.47) LMNAPHF8KDM2AEGLN1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372574-A1 IN VIVO DETECTION OF SURGICAL MATERIALS NORTHWESTERN UNIVERSITY 2023-11-23 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-10786582-B2 Gd(III)-dithiolane gold nanoparticle conjugates NORTHWESTERN UNIVERSITY (US) 2020-09-29 US disclosed
US-20190321492-A1 Gd(III)-Dithiolane Gold Nanoparticle Conjugates NORTHWESTERN UNIVERSITY 2019-10-24 US disclosed
US-8574608-B2 Bactericidal silver surfactant delivery into coating and polymer compositions Eastern Michigan Universtity (US) 2013-11-05 US disclosed
US-20130259916-A1 BACTERICIDAL SILVER SURFACTANT DELIVERY INTO COATING AND POLYMER COMPOSITIONS EASTERN MICHIGAN UNIVERSITY (US) 2013-10-03 US disclosed
US-8314121-B2 Imidazolone derivatives, preparation thereof as drugs, pharmaceutical compositions, and use thereof as protein kinase inhibitors, in particular CDC7 SANOFI (FR) 2012-11-20 US disclosed
US-20090253679-A1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 SANOFI-AVENTIS (FR) 2009-10-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10786582-B2 Gd(III)-dithiolane gold nanoparticle conjugates GOLGA3, LGALS3, DSTN LMNA 3361/4885PHF8 3698/4885KDM2A 4456/4885
US-20090253679-A1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 CDC7, CDK7, CDK17 LMNA 2415/4885PHF8 1687/4885KDM2A 3307/4885
US-20130259916-A1 BACTERICIDAL SILVER SURFACTANT DELIVERY INTO COATING AND POLYMER COMPOSITIONS CAPG, CLTB, DSTN LMNA 4263/4885PHF8 3797/4885KDM2A 4327/4885
US-20190321492-A1 Gd(III)-Dithiolane Gold Nanoparticle Conjugates GOLGA3, LGALS3, DSTN LMNA 3361/4885PHF8 3698/4885KDM2A 4456/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.